Ammonium phenolsulfonate

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  • Identifiers

    CAS number
    61886-53-1

    Molecular formula
    C6H9NO4S

    SMILES
    C1=CC=C(C(=C1)O)S(=O)(=O)[O-].[NH4+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 87.1%
    Burnt 18.88%
    Bitter 18.67%
    Savory 17.61%
    Cooked 17.24%
    Roasted 15.3%
    Pungent 13.68%
    Phenolic 12.97%
    Sulfurous 12.66%
    Sharp 11.93%

     

    Flavor
    Bitter 72.82%
    Odorless 31.14%
    Nitrile 22.09%
    Mild 20.37%
    Urine 20.01%
    Taco 19.68%
    Bread crust 19.54%
    Very strong 19.36%
    Nutty 19.27%
    Roasted peanuts 19.25%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.03 (weak acid)

    Molecular weight
    191.21 g/mol

    Flash point

    • 135.5 ˚C est.

  • Synonyms

    • 61886-53-1
    • Ammonium phenolsulfonate
    • Ammonium hydroxybenzenesulphonate
    • Ammonium sulfocarbolate
    • EINECS 263-293-6
    • Benzenesulfonic acid, hydroxy-, monoammonium salt
    • Hydroxybenzenesulfonic acid, monoammonium salt
    • 15ROM920I0
    • Benzenesulfonic acid, hydroxy-, ammonium salt (1:1)
    • RefChem:557797
    • AMMONIUM PHENOLSULFONATE [INCI]
    • Ammonium o-phenolsulfonate
    • azanium;2-hydroxybenzenesulfonate
    • E7ABC81FPV
    • Benzenesulfonic acid, 2-hydroxy-, monoammonium salt
    • Benzenesulfonic acid, 2-hydroxy-, ammonium salt (1:1)
    • 130246-99-0
    • UNII-E7ABC81FPV
    • UNII-15ROM920I0
    • DB-296973
    • NS00087750
    • Q27276964
    • 61886-53-1

  • Applications

    Ammonium phenolsulfonate is a water-soluble ammonium salt of phenolsulfonate that acts as a synthetic intermediate and formulation additive across multiple industries. Common applications include: serving as an intermediate in the synthesis of dyes, pigments, and pharmaceutical components; functioning as a surfactant or wetting agent in household and industrial cleaners; acting as an additive in coatings, inks, and polymer formulations to improve dispersion and processability; serving as a processing aid or stabilizer in certain polymer and plastics formulations; and being evaluated as a chelating/complexing component in formulated systems, depending on regulatory requirements and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1065.38
    methanol 1525.44
    isopropanol 677.0
    water 6.63
    ethyl acetate 733.74
    n-propanol 634.43
    acetone 1571.72
    n-butanol 693.45
    acetonitrile 842.64
    DMF 3497.85
    toluene 76.78
    isobutanol 303.66
    1,4-dioxane 698.02
    methyl acetate 609.96
    THF 3451.28
    2-butanone 1144.1
    n-pentanol 352.73
    sec-butanol 629.61
    n-hexane 7.89
    ethylene glycol 473.84
    NMP 1231.11
    cyclohexane 12.14
    DMSO 3505.57
    n-butyl acetate 210.9
    n-octanol 225.57
    chloroform 88.62
    n-propyl acetate 333.55
    acetic acid 277.11
    dichloromethane 123.13
    cyclohexanone 630.68
    propylene glycol 497.53
    isopropyl acetate 396.17
    DMAc 1293.71
    2-ethoxyethanol 1055.99
    isopentanol 379.73
    n-heptane 14.34
    ethyl formate 516.74
    1,2-dichloroethane 262.72
    n-hexanol 319.36
    2-methoxyethanol 3065.71
    isobutyl acetate 79.3
    tetrachloromethane 14.2
    n-pentyl acetate 204.22
    transcutol 1654.38
    n-heptanol 168.37
    ethylbenzene 43.12
    MIBK 419.23
    2-propoxyethanol 891.85
    tert-butanol 567.32
    MTBE 259.81
    2-butoxyethanol 392.55
    propionic acid 268.73
    o-xylene 52.24
    formic acid 359.0
    diethyl ether 642.08
    m-xylene 64.66
    p-xylene 34.09
    chlorobenzene 75.83
    dimethyl carbonate 350.02
    n-octane 8.12
    formamide 1369.68
    cyclopentanone 1307.38
    2-pentanone 1195.13
    anisole 213.2
    cyclopentyl methyl ether 619.73
    gamma-butyrolactone 1222.02
    1-methoxy-2-propanol 2013.66
    pyridine 383.63
    3-pentanone 564.36
    furfural 690.98
    n-dodecane 9.78
    diethylene glycol 909.22
    diisopropyl ether 108.48
    tert-amyl alcohol 457.89
    acetylacetone 921.69
    n-hexadecane 11.06
    acetophenone 201.64
    methyl propionate 727.66
    isopentyl acetate 123.97
    trichloroethylene 256.58
    n-nonanol 209.08
    cyclohexanol 343.32
    benzyl alcohol 185.0
    2-ethylhexanol 124.13
    isooctanol 95.2
    dipropyl ether 177.27
    1,2-dichlorobenzene 65.35
    ethyl lactate 261.41
    propylene carbonate 376.8
    n-methylformamide 1898.22
    2-pentanol 525.5
    n-pentane 18.13
    1-propoxy-2-propanol 522.89
    1-methoxy-2-propyl acetate 328.89
    2-(2-methoxypropoxy) propanol 337.64
    mesitylene 41.63
    ε-caprolactone 457.38
    p-cymene 34.92
    epichlorohydrin 1248.83
    1,1,1-trichloroethane 96.7
    2-aminoethanol 666.59
    morpholine-4-carbaldehyde 1150.65
    sulfolane 1385.82
    2,2,4-trimethylpentane 6.09
    2-methyltetrahydrofuran 996.82
    n-hexyl acetate 292.45
    isooctane 6.24
    2-(2-butoxyethoxy)ethanol 649.9
    sec-butyl acetate 178.57
    tert-butyl acetate 352.75
    decalin 6.72
    glycerin 709.98
    diglyme 795.81
    acrylic acid 227.93
    isopropyl myristate 130.03
    n-butyric acid 437.84
    acetyl acetate 258.02
    di(2-ethylhexyl) phthalate 71.47
    ethyl propionate 354.91
    nitromethane 1335.96
    1,2-diethoxyethane 383.87
    benzonitrile 179.28
    trioctyl phosphate 86.74
    1-bromopropane 147.27
    gamma-valerolactone 1227.6
    n-decanol 163.27
    triethyl phosphate 72.82
    4-methyl-2-pentanol 187.4
    propionitrile 552.02
    vinylene carbonate 253.5
    1,1,2-trichlorotrifluoroethane 479.49
    DMS 168.1
    cumene 27.44
    2-octanol 153.31
    2-hexanone 426.95
    octyl acetate 177.88
    limonene 56.17
    1,2-dimethoxyethane 1094.86
    ethyl orthosilicate 61.3
    tributyl phosphate 94.37
    diacetone alcohol 729.59
    N,N-dimethylaniline 131.21
    acrylonitrile 706.25
    aniline 179.98
    1,3-propanediol 1130.22
    bromobenzene 53.3
    dibromomethane 90.68
    1,1,2,2-tetrachloroethane 234.15
    2-methyl-cyclohexyl acetate 99.21
    tetrabutyl urea 159.93
    diisobutyl methanol 74.26
    2-phenylethanol 195.17
    styrene 52.94
    dioctyl adipate 142.75
    dimethyl sulfate 494.85
    ethyl butyrate 189.25
    methyl lactate 606.25
    butyl lactate 207.11
    diethyl carbonate 98.95
    propanediol butyl ether 467.07
    triethyl orthoformate 98.99
    p-tert-butyltoluene 36.76
    methyl 4-tert-butylbenzoate 172.79
    morpholine 1204.61
    tert-butylamine 225.4
    n-dodecanol 116.88
    dimethoxymethane 2067.88
    ethylene carbonate 235.15
    cyrene 268.23
    2-ethoxyethyl acetate 286.87
    2-ethylhexyl acetate 86.46
    1,2,4-trichlorobenzene 75.22
    4-methylpyridine 352.31
    dibutyl ether 150.0
    2,6-dimethyl-4-heptanol 74.26
    DEF 1036.87
    dimethyl isosorbide 476.59
    tetrachloroethylene 123.81
    eugenol 238.04
    triacetin 194.09
    span 80 250.0
    1,4-butanediol 318.54
    1,1-dichloroethane 167.4
    2-methyl-1-pentanol 182.73
    methyl formate 1203.1
    2-methyl-1-butanol 337.21
    n-decane 14.42
    butyronitrile 562.39
    3,7-dimethyl-1-octanol 140.49
    1-chlorooctane 72.68
    1-chlorotetradecane 33.25
    n-nonane 12.32
    undecane 12.03
    tert-butylcyclohexane 5.19
    cyclooctane 6.7
    cyclopentanol 516.02
    tetrahydropyran 663.32
    tert-amyl methyl ether 266.12
    2,5,8-trioxanonane 619.53
    1-hexene 50.97
    2-isopropoxyethanol 516.21
    2,2,2-trifluoroethanol 147.95
    methyl butyrate 441.12

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction